Molecule

ID:110345

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKey
DCNUQRBLZWSGAV-UHFFFAOYSA-N
Canonic Smiles
O=CN(c1ccccc1)c1ccccc1
Isomeric Smiles
O=CN(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.684282
LogD (pH = 7.4)
2.684282
Log P
2.684282
Molar Refractivity
59.324
Polarizability
22.965343
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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